Category: 13729-77-6

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 2-Methylpiperidin-4-one hydrochloride, is researched, Molecular C6H12ClNO, CAS is 13729-77-6, about Methyl-substitution of an iminohydantoin spiropiperidine β-secretase (BACE-1) inhibitor has a profound effect on its potency, the main research direction is iminohydantoin spiropiperidine derivative preparation structure BACE1 inhibitor; Amyloid; Beta secretase; Magic methyl effect; Spiropiperidine.Safety of 2-Methylpiperidin-4-one hydrochloride.

The IC50 of a beta-secretase (BACE-1) lead compound was improved ∼200-fold from 11 μM to 55 nM through the addition of a single Me group. Computational chem., small mol. NMR, and protein crystallog. capabilities were used to compare the solution conformation of the ligand under varying pH conditions to its conformation when bound in the active site. Chem. modification then explored available binding pockets adjacent to the ligand. A strategically placed Me group not only maintained the required pKa of the piperidine nitrogen and filled a small hydrophobic pocket, but more importantly, stabilized the conformation best suited for optimized binding to the receptor.

Compound(13729-77-6)Safety of 2-Methylpiperidin-4-one hydrochloride received a lot of attention, and I have introduced some compounds in other articles, similar to this compound(2-Methylpiperidin-4-one hydrochloride), if you are interested, you can check out my other related articles.

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 13729-77-6, is researched, Molecular C6H12ClNO, about Synthesis of some N-substituted 2-methyl- and 3-methyl-4-piperidones, the main research direction is PIPERIDONES.Category: pyridine-derivatives.

cf. CA 60, 15825b. 1,2-Dimethyl-4-piperidone-MeI (I) heated with Me2C(NH2)CCH (Ia) in H2O 3.5 hrs. at 80° in a sealed tube and kept 2 days at room temperature gave a low yield of 1-(1,1-dimethyl-2-propynyl)-2-methyl-4-piperidone (II), m. 50-2°. I treated with ice-cold KOH gave 42% Me2NCH2CH2COCH:-CHMe, b2 46-7°, n19.5D 1.4593, which with MeI in Me2CO gave the methiodide, a solid, which with Ia, finally at 80°, gave 72% II. To 287 g. AlCl3 in CHCl3 was added 227 g. ClCH2CH2COCl followed at -20° by MeCH:CH2 passed in for 2.5 hrs., after which an aqueous treatment gave mixed chlorides, b8 94-5°, which with Ia in aqueous K2CO3, finally 10 hrs. at 80°, gave some II. Keeping CH2:CHCO2Me with MeCH(NH2)CH2CO2Et 2 days gave 69.5% MeO2CCH2CH2NHCHMeCH2CO2Et, b6 127-30°, n17D 1.4410, which with Na in liquid NH3, followed by an aqueous treatment, gave after acidification and heating to expel CO2, treatment with KOH and extraction with CHCl3, 43% 2-methyl-4-piperidone, isolated as N-benzoyl derivative, m. 88°, and as HCl salt. The HCl salt and tosyl chloride in pyridine 1 day gave 1-(p-tolylsulfonyl)-2-methyl-4-piperidone, m. 80-1°. Similarly was prepared 1-(p-tolylsulfonyl)-3-methyl-4-piperidone (III), m. 104-5°. Heating MeO2CCH:CH2 with MeCH(NHMe)CH2CO2Et 12 hrs. at 52° gave 53% MeO2CCH2CH2NMeCHMeCH2CO2Et, b6 129-30°, n17D 1.4420, which with Na in liquid NH3, then with aqueous HCl, gave 76% 1,2-dimethyl-4-piperidone, b7 55-7°, n18D 1.4592. III heated 8 hrs. with KOH and cyclohexylamine gave traces of N-cyclohexyl-3-methyl-4-piperidone; Me3CNH2 with KOH also gave traces of the N-tert-butyl derivative

Here is a brief introduction to this compound(13729-77-6)Category: pyridine-derivatives, if you want to know about other compounds related to this compound(13729-77-6), you can read my other articles.

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem